(5-chloropyridin-3-yl)methanol

• ChemBase ID: 58870
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: C(O)c1cncc(c1)Cl
• Canonical SMILES: OCc1cc(Cl)cnc1
• InChI: InChI=1S/C6H6ClNO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2
• InChIKey: ALUCWNPKIRQBEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chloropyridin-3-yl)methanol
• IUPAC Traditional name: (5-chloropyridin-3-yl)methanol
• Synonyms: (5-Chloro-3-pyridinyl)methanol

Database IDs

• CAS Number: 22620-34-4
• MDL Number: MFCD09743969
• PubChem SID: 162063633
• PubChem CID: 25067264

CALCULATED PROPERTIES

• Acid pKa: 14.577108
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.59127384
• LogD (pH = 7.4): 0.5922557
• Log P: 0.5922683
• Molar Refractivity: 35.5218 cm^3
• Polarizability: 13.800139 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%